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6NXI
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BU of 6nxi by Molmil
Flavin Transferase ApbE from Vibrio cholerae
分子名称: 1,2-ETHANEDIOL, FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Osipiuk, J, Fang, X, Chakravarthy, S, Juarez, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-02-08
公開日2019-03-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Conserved residue His-257 ofVibrio choleraeflavin transferase ApbE plays a critical role in substrate binding and catalysis.
J.Biol.Chem., 294, 2019
5T5W
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BU of 5t5w by Molmil
Structure of an affinity matured lambda-IFN/IFN-lambdaR1/IL-10Rbeta receptor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon lambda receptor 1, Interferon lambda-3, ...
著者Mendoza, J.L, Jude, K.M, Garcia, K.C.
登録日2016-08-31
公開日2017-03-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.847 Å)
主引用文献The IFN-lambda-IFN-lambda R1-IL-10R beta Complex Reveals Structural Features Underlying Type III IFN Functional Plasticity.
Immunity, 46, 2017
5G1T
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BU of 5g1t by Molmil
S. enterica HisA mutant dup13-15, D10G
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2016-03-30
公開日2017-04-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G2I
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BU of 5g2i by Molmil
S. enterica HisA mutant Dup13-15(VVR)
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
登録日2016-04-08
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UEW
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BU of 5uew by Molmil
BRD2 Bromodomain2 with A-1360579
分子名称: Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UI0
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BU of 5ui0 by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring an E565A/K659M Double Gain-of-Function Mutation
分子名称: CITRATE ANION, Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Mohammadi, M, Chen, H.
登録日2017-01-12
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5TGH
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BU of 5tgh by Molmil
Structure of the SNX5 PX domain in complex with chlamydial protein IncE in space group P32
分子名称: IncE, Sorting nexin-5
著者Collins, B, Paul, B.
登録日2016-09-27
公開日2017-05-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the hijacking of endosomal sorting nexin proteins byChlamydia trachomatis.
Elife, 6, 2017
5UEY
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BU of 5uey by Molmil
BRD4_BD2_A-1412838
分子名称: 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UEX
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BU of 5uex by Molmil
BRD4_BD2_A-1497627
分子名称: 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
6EFN
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BU of 6efn by Molmil
Structure of a RiPP maturase, SkfB
分子名称: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Grell, T.A.J, Drennan, C.L.
登録日2018-08-16
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献Structure of a RiPP maturase, SkfB
J.Biol.Chem., 2018
6ECM
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BU of 6ecm by Molmil
Crystal Structure of SNX15 PX domain in domain swapped conformation
分子名称: SULFATE ION, Sorting nexin-15
著者Chandra, M, Collins, B.M.
登録日2018-08-08
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6EUX
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BU of 6eux by Molmil
Structure of the midlink and cap-binding domains of influenza B polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor
分子名称: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Cusack, S, Gaudon, S.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EVJ
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BU of 6evj by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter and capped RNA primer
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(GDM))-R(P*AP*AP*U)-3'), ...
著者Pflug, A, Cusack, S.
登録日2017-11-01
公開日2017-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUV
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BU of 6euv by Molmil
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindole cap-binding inhibitor (VX-787)
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, NICKEL (II) ION, Polymerase basic protein 2
著者Cusack, S, Lethier, M.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUY
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BU of 6euy by Molmil
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor
分子名称: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2, SULFATE ION
著者Cusack, S, Gaudon, S.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUW
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BU of 6euw by Molmil
Crystal structure of the cap-binding domain of the PB2 subunit of influenza A/H5N1 polymerase bound to an azaindazole inhibitor
分子名称: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, GLYCEROL, Polymerase basic protein 2
著者Cusack, S, Gaudon, S.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EVK
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BU of 6evk by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter and cap analogue m7GTP
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polymerase acidic protein, ...
著者Pflug, A, Cusack, S.
登録日2017-11-01
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
8K19
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BU of 8k19 by Molmil
Neutralization antibody ZCP3B4 bound with SARS-CoV-2 Omicron BA.5 RBD
分子名称: Spike protein S1, ZCP3B4 heavy chain, ZCP3B4 light chain
著者Tang, B, Dang, S.
登録日2023-07-10
公開日2024-10-09
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Ultrapotent class I neutralizing antibodies post Omicron breakthrough infection overcome broad SARS-CoV-2 escape variants.
Ebiomedicine, 108, 2024
8QAF
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BU of 8qaf by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 8-helix coiled-coil alpha-helical barrel, sc-apCC-8
分子名称: sc-apCC-8
著者Albanese, K.I, Petrenas, R, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAA
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BU of 8qaa by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil 6-helix bundle with 4 heptad repeats, antiparallel 6-helix bundle-ALIA
分子名称: antiparallel 6-helix bundle-ALIA
著者Albanese, K.I, Petrenas, R, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAE
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BU of 8qae by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix alpha-helical barrel, sc-apCC-6-SLLA
分子名称: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, PENTAETHYLENE GLYCOL, sc-apCC-6-SLLA
著者Albanese, K.I, Petrenas, R, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAG
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BU of 8qag by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95
分子名称: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAH
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BU of 8qah by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
分子名称: sc-CC-8-58
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
7MCH
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BU of 7mch by Molmil
Crystal structure of a single-chain E/F type bilin lyase-isomerase MpeQ in space group C2221
分子名称: bilin lyase-isomerase
著者Yang, X, Kumarapperuma, I.
登録日2021-04-02
公開日2022-08-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure and molecular mechanism of an E/F type bilin lyase-isomerase.
Structure, 30, 2022
7MC4
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BU of 7mc4 by Molmil
Crystal structure of a single-chain E/F type bilin lyase-isomerase MpeQ
分子名称: Bilin Lyase-Isomerase
著者Yang, X, Kumarapperuma, I.
登録日2021-04-01
公開日2022-02-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and molecular mechanism of an E/F type bilin lyase-isomerase.
Structure, 30, 2022

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